AO-081/41133205
TL;DR: AO-081/41133205 (CAS 593255-56-2) is a chemical compound with molecular formula C18H18ClFN2O3S and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-prop-2-enylacetamide
Also Known As: AO-081/41133205, 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-prop-2-enylacetamide, N-allyl-2-[[(4-chlorophenyl)sulfonyl](2-fluorobenzyl)amino]acetamide, N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-(2-fluorobenzyl)-N-prop-2-en-1-ylglycinamide
| Molecular Formula | C18H18ClFN2O3S |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 2.9722 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.07108 |
| Heavy Atoms | 26 |
| Complexity | 885.56415 |
Chemical Identifiers
| CAS Number | 593255-56-2 |
|---|---|
| SMILES | C=CCNC(=O)CN(CC1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
AO-081/41133205 (CAS 593255-56-2), with molecular formula C18H18ClFN2O3S and molecular weight 396.07 g/mol. IUPAC: 2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-prop-2-enylacetamide.
Chemical Property Profile of AO-081/41133205
Property Insights of AO-081/41133205
The XLogP value of 2.9722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/41133205. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41133205. Following Lipinski's Rule of Five, AO-081/41133205 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/41133205?
The CAS number of AO-081/41133205 is 593255-56-2.
What is the molecular formula of AO-081/41133205?
The molecular formula of AO-081/41133205 is C18H18ClFN2O3S.
What is the molecular weight of AO-081/41133205?
The molecular weight of AO-081/41133205 is 396.07 g/mol.
Where can I buy AO-081/41133205?
You can request a quote for AO-081/41133205 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41133205?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41133205 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.